N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide

C16H24BrN3O2 — CID 109016834

IUPACN-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNCCN1CCOCC1
InChIInChI=1S/C16H24BrN3O2/c1-13-12-14(17)2-3-15(13)19-16(21)4-5-18-6-7-20-8-10-22-11-9-20/h2-3,12,18H,4-11H2,1H3,(H,19,21)
InChIKeySGDNETZVRWSKSR-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.01
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide

N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016834) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016834
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC NameN-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCNCCN1CCOCC1
InChIInChI=1S/C16H24BrN3O2/c1-13-12-14(17)2-3-15(13)19-16(21)4-5-18-6-7-20-8-10-22-11-9-20/h2-3,12,18H,4-11H2,1H3,(H,19,21)
InChIKeySGDNETZVRWSKSR-UHFFFAOYSA-N
XLogP2.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016771
N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028102
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016791
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857691
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016834) is N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide is Cc1cc(Br)ccc1NC(=O)CCNCCN1CCOCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is SGDNETZVRWSKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-13-12-14(17)2-3-15(13)19-16(21)4-5-18-6-7-20-8-10-22-11-9-20/h2-3,12,18H,4-11H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 370.29 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).